Match comparison for Dipole Moment x (match type 11782)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 17-scfinlcao_alt.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
0.000000000000000e+00 1.000000000000000e-10 1.187146754385965e-14 5.020927870626484e-14 5.001340000000000e-14 1.126636000000000e-13 PASS
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Detailed information

Reference: 0.0, precision: 0.0000000001
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -6.414060000000000e-15 -6.414060000000000e-15 -6.414059999999999e-05 PASS
cmake_foss_2022a_full_serial 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
spack_foss-2022a_ppc -6.414060000000000e-15 -6.414060000000000e-15 -6.414059999999999e-05 PASS
spack_foss-2023a_serial_opt 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
cmake_foss_2022a_min_serial 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
cmake_foss_2022a_min_mpi 1.444820000000000e-13 1.444820000000000e-13 1.444820000000000e-03 PASS
cmake_foss_2022a_full_mpi 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
spack_foss-2022a_mpi -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
spack_foss-2022a_mpi_min -1.564170000000000e-15 -1.564170000000000e-15 -1.564170000000000e-05 PASS
spack_foss-2022a_serial 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
GCI_foss_min_autotools: [foss2022a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
GCI_foss_min_autotools: [foss2023a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2022a_serial_min 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023a_serial 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023a_mpi_min -1.564170000000000e-15 -1.564170000000000e-15 -1.564170000000000e-05 PASS
spack_foss-2023a_mpi -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
spack_foss-2023a_serial_min 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023a_mpi_opt 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
GCI_foss_min_autotools: [foss2023b-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023a_serial_debug 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023b_serial 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023a_serial_omp 4.293950000000000e-15 4.293950000000000e-15 4.293950000000000e-05 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 4.293950000000000e-15 4.293950000000000e-15 4.293950000000000e-05 PASS
spack_foss-2023a_mpi_debug -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
GCI_foss_autotools: [foss2022a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
GCI_foss_autotools: [foss2023a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_intel-2022a_serial_omp -1.243650000000000e-14 -1.243650000000000e-14 -1.243650000000000e-04 PASS
GCI_foss_autotools: [foss2023b-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
spack_foss-2023a_mpi_omp -1.418890000000000e-14 -1.418890000000000e-14 -1.418890000000000e-04 PASS
spack_intel-2023a_serial -4.584750000000000e-15 -4.584750000000000e-15 -4.584750000000000e-05 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
GCI_intel_autotools: [intel2023a-serial] -4.584750000000000e-15 -4.584750000000000e-15 -4.584750000000000e-05 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -1.243650000000000e-14 -1.243650000000000e-14 -1.243650000000000e-04 PASS
spack_intel-2023a_impi 1.762040000000000e-14 1.762040000000000e-14 1.762040000000000e-04 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -7.717280000000000e-15 -7.717280000000000e-15 -7.717280000000000e-05 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.762040000000000e-14 1.762040000000000e-14 1.762040000000000e-04 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 1.444820000000000e-13 1.444820000000000e-13 1.444820000000000e-03 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 3.612040000000000e-14 3.612040000000000e-14 3.612040000000000e-04 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 3.612040000000000e-14 3.612040000000000e-14 3.612040000000000e-04 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 1.444820000000000e-13 1.444820000000000e-13 1.444820000000000e-03 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -1.418890000000000e-14 -1.418890000000000e-14 -1.418890000000000e-04 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
spack_intel-2023a_serial_omp -7.717280000000000e-15 -7.717280000000000e-15 -7.717280000000000e-05 PASS
spack_intel-2022a_impi_omp -2.579400000000000e-16 -2.579400000000000e-16 -2.579400000000000e-06 PASS
spack_foss-2022a_cuda_mpi_omp 1.626770000000000e-13 1.626770000000000e-13 1.626770000000000e-03 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -2.579400000000000e-16 -2.579400000000000e-16 -2.579400000000000e-06 PASS
spack_foss-2022a_cuda_serial -6.448730000000000e-15 -6.448730000000000e-15 -6.448730000000000e-05 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -6.448730000000000e-15 -6.448730000000000e-15 -6.448730000000000e-05 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.626770000000000e-13 1.626770000000000e-13 1.626770000000000e-03 PASS